2-acetamido-N-(4-bromanyl-2,6-dimethyl-phenyl)-4-methylsulfonyl-butanamide

Systemtic Name: 2-acetamido-N-(4-bromanyl-2,6-dimethyl-phenyl)-4-methylsulfonyl-butanamide Openeye Name: 2-acetamido-N-(4-bromo-2,6-dimethyl-phenyl)-4-methylsulfonyl-butanamide CAS Name: 2-acetamido-N-(4-bromo-2,6-dimethylphenyl)-4-methylsulfonylbutanamide IUPAC Name: 2-acetamido-N-(4-bromo-2,6-dimethylphenyl)-4-methylsulfonylbutanamide Traditional Name: 2-acetamido-N-(4-bromo-2,6-dimethyl-phenyl)-4-mesyl-butyramide Formula: C15H21BrN2O4S MolecularWeight: 405.30724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C(CCS(=O)(=O)C)NC(=O)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C(CCS(=O)(=O)C)NC(=O)C)C)Br

InChI

InChI=1S/C15H21BrN2O4S/c1-9-7-12(16)8-10(2)14(9)18-15(20)13(17-11(3)19)5-6-23(4,21)22/h7-8,13H,5-6H2,1-4H3,(H,17,19)(H,18,20)